4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine

C15H24ClN3O3S2 — CID 60575695

IUPAC4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(CCCN2CCOCC2)CC1
InChIInChI=1S/C15H24ClN3O3S2/c16-14-2-3-15(23-14)24(20,21)19-8-6-17(7-9-19)4-1-5-18-10-12-22-13-11-18/h2-3H,1,4-13H2
InChIKeyAGRMDFXQDYDOPF-UHFFFAOYSA-N
MW393.96 g/mol
LogP1.43
Rot. Bonds6

About 4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine

4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine (PubChem CID 60575695) has the molecular formula C15H24ClN3O3S2 and a molecular weight of 393.96 g/mol. Its IUPAC name is 4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine
PubChem CID60575695
Molecular FormulaC15H24ClN3O3S2
Molecular Weight393.96 g/mol
Exact Mass393.09
IUPAC Name4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(CCCN2CCOCC2)CC1
InChIInChI=1S/C15H24ClN3O3S2/c16-14-2-3-15(23-14)24(20,21)19-8-6-17(7-9-19)4-1-5-18-10-12-22-13-11-18/h2-3H,1,4-13H2
InChIKeyAGRMDFXQDYDOPF-UHFFFAOYSA-N
XLogP1.43
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]butanoic acid
CID 119135118
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 45029631
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine
CID 113073206
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31137350
N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
CID 60501808
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006
(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248163
(1R)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248165
5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole
CID 46562847
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944
1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
CID 113074876

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine (CID 60575695) is 4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine is O=S(=O)(c1ccc(Cl)s1)N1CCN(CCCN2CCOCC2)CC1.
What is the InChIKey of 4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine?
The InChIKey is AGRMDFXQDYDOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O3S2/c16-14-2-3-15(23-14)24(20,21)19-8-6-17(7-9-19)4-1-5-18-10-12-22-13-11-18/h2-3H,1,4-13H2.
What are the key properties of 4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine?
4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine has a molecular weight of 393.96 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine is sourced from PubChem (CID 60575695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).